2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one

C32H26Cl2N4O3 — CID 135155815

IUPAC2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one
SMILESCOc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)N=C2N)cc1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C32H26Cl2N4O3/c1-41-28-15-6-20(16-27(28)29(39)37-18-21-4-2-3-5-22(21)19-37)17-38-30(40)32(36-31(38)35,23-7-11-25(33)12-8-23)24-9-13-26(34)14-10-24/h2-16H,17-19H2,1H3,(H2,35,36)
InChIKeyVVFAOEYFHBLWHZ-UHFFFAOYSA-N
MW585.49 g/mol
LogP5.76
Rot. Bonds6

About 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one

2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one (PubChem CID 135155815) has the molecular formula C32H26Cl2N4O3 and a molecular weight of 585.49 g/mol. Its IUPAC name is 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one
PubChem CID135155815
Molecular FormulaC32H26Cl2N4O3
Molecular Weight585.49 g/mol
Exact Mass584.14
IUPAC Name2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one
SMILESCOc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)N=C2N)cc1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C32H26Cl2N4O3/c1-41-28-15-6-20(16-27(28)29(39)37-18-21-4-2-3-5-22(21)19-37)17-38-30(40)32(36-31(38)35,23-7-11-25(33)12-8-23)24-9-13-26(34)14-10-24/h2-16H,17-19H2,1H3,(H2,35,36)
InChIKeyVVFAOEYFHBLWHZ-UHFFFAOYSA-N
XLogP5.76
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one
CID 135155755
methyl 4-[5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 135156034
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155854
methyl N-[6-[3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]benzoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]carbamate
CID 135181550
2-amino-3-[[4-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)thiophen-2-yl]methyl]-5,5-diphenylimidazol-4-one
CID 135155720
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
(3R)-1-[(4-chlorophenyl)methyl]-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1311083
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
2-[[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 27660661

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one (CID 135155815) is 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one is COc1ccc(CN2C(=O)C(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)N=C2N)cc1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one?
The InChIKey is VVFAOEYFHBLWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4O3/c1-41-28-15-6-20(16-27(28)29(39)37-18-21-4-2-3-5-22(21)19-37)17-38-30(40)32(36-31(38)35,23-7-11-25(33)12-8-23)24-9-13-26(34)14-10-24/h2-16H,17-19H2,1H3,(H2,35,36).
What are the key properties of 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one?
2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one has a molecular weight of 585.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-bis(4-chlorophenyl)-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-4-methoxyphenyl]methyl]imidazol-4-one is sourced from PubChem (CID 135155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).